Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Brc1cc(cc(Br)c1O)NC(=O)c2cc(Cl)ccc2Cl |
SMILES_CANONICAL | CACTVS | 3.341 | Oc1c(Br)cc(NC(=O)c2cc(Cl)ccc2Cl)cc1Br |
SMILES | CACTVS | 3.341 | Oc1c(Br)cc(NC(=O)c2cc(Cl)ccc2Cl)cc1Br |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(c(cc1Cl)C(=O)Nc2cc(c(c(c2)Br)O)Br)Cl |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(c(cc1Cl)C(=O)Nc2cc(c(c(c2)Br)O)Br)Cl |
InChI | InChI | 1.03 | InChI=1S/C13H7Br2Cl2NO2/c14-9-4-7(5-10(15)12(9)19)18-13(20)8-3-6(16)1-2-11(8)17/h1-5,19H,(H,18,20) |
InChIKey | InChI | 1.03 | IFLWCZRMFPKYBN-UHFFFAOYSA-N |